data_25597
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25597
_Entry.PDB_ID 2N2F
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 25597
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 2 2 GLY N N 2 111.189 111.189 109.012 2.177 25597
2 1 1 . 1 1 2 2 GLY H H 2 8.690 8.690 8.031 0.659 25597
3 1 1 . 1 1 3 3 GLY N N 3 107.332 107.332 106.816 0.516 25597
4 1 1 . 1 1 3 3 GLY H H 3 8.038 8.038 7.916 0.122 25597
5 1 1 . 1 1 4 4 PHE N N 4 118.585 118.585 120.102 -1.517 25597
6 1 1 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.940 -0.349 25597
7 1 1 . 1 1 4 4 PHE H H 4 8.202 8.202 7.854 0.348 25597
8 1 1 . 1 1 5 5 LEU N N 5 123.075 123.075 122.475 0.600 25597
9 1 1 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.920 0.372 25597
10 1 1 . 1 1 5 5 LEU H H 5 8.279 8.279 8.101 0.178 25597
11 1 1 . 1 1 6 6 ARG N N 6 121.173 121.173 119.436 1.737 25597
12 1 1 . 1 1 6 6 ARG HA H 6 4.260 4.260 3.972 0.288 25597
13 1 1 . 1 1 6 6 ARG C C 6 176.067 176.067 177.523 -1.456 25597
14 1 1 . 1 1 6 6 ARG CA C 6 55.970 55.970 58.345 -2.375 25597
15 1 1 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.586 1.009 25597
16 1 1 . 1 1 6 6 ARG H H 6 8.312 8.312 8.468 -0.156 25597
17 1 1 . 1 1 7 7 ARG N N 7 121.712 121.712 117.761 3.951 25597
18 1 1 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.091 0.221 25597
19 1 1 . 1 1 7 7 ARG C C 7 176.067 176.067 176.438 -0.371 25597
20 1 1 . 1 1 7 7 ARG CA C 7 55.970 55.970 58.087 -2.118 25597
21 1 1 . 1 1 7 7 ARG CB C 7 30.783 30.783 29.855 0.928 25597
22 1 1 . 1 1 7 7 ARG H H 7 8.396 8.396 7.373 1.023 25597
23 1 1 . 1 1 8 8 ILE N N 8 122.082 122.082 114.441 7.641 25597
24 1 1 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.434 -0.291 25597
25 1 1 . 1 1 8 8 ILE H H 8 8.374 8.374 7.522 0.852 25597
26 1 1 . 1 1 9 9 ARG N N 9 126.054 126.054 122.251 3.803 25597
27 1 1 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.136 0.470 25597
28 1 1 . 1 1 9 9 ARG C C 9 174.005 174.005 174.722 -0.717 25597
29 1 1 . 1 1 9 9 ARG CA C 9 53.858 53.858 56.273 -2.416 25597
30 1 1 . 1 1 9 9 ARG CB C 9 30.116 30.116 28.003 2.114 25597
31 1 1 . 1 1 9 9 ARG H H 9 8.569 8.569 8.801 -0.232 25597
32 1 1 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.558 -0.160 25597
33 1 1 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.429 -0.145 25597
34 1 1 . 1 1 11 11 LYS H H 11 8.520 8.520 7.789 0.731 25597
35 1 1 . 1 1 12 12 LEU N N 12 123.681 123.681 119.817 3.864 25597
36 1 1 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.205 0.136 25597
37 1 1 . 1 1 12 12 LEU H H 12 8.481 8.481 7.672 0.809 25597
38 1 2 . 1 1 2 2 GLY N N 2 111.189 111.189 109.051 2.138 25597
39 1 2 . 1 1 2 2 GLY H H 2 8.690 8.690 8.315 0.375 25597
40 1 2 . 1 1 3 3 GLY N N 3 107.332 107.332 106.953 0.379 25597
41 1 2 . 1 1 3 3 GLY H H 3 8.038 8.038 8.314 -0.276 25597
42 1 2 . 1 1 4 4 PHE N N 4 118.585 118.585 119.209 -0.624 25597
43 1 2 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.847 -0.256 25597
44 1 2 . 1 1 4 4 PHE H H 4 8.202 8.202 7.677 0.525 25597
45 1 2 . 1 1 5 5 LEU N N 5 123.075 123.075 121.842 1.233 25597
46 1 2 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.847 0.445 25597
47 1 2 . 1 1 5 5 LEU H H 5 8.279 8.279 8.193 0.086 25597
48 1 2 . 1 1 6 6 ARG N N 6 121.173 121.173 118.553 2.620 25597
49 1 2 . 1 1 6 6 ARG HA H 6 4.260 4.260 3.860 0.400 25597
50 1 2 . 1 1 6 6 ARG C C 6 176.067 176.067 177.271 -1.204 25597
51 1 2 . 1 1 6 6 ARG CA C 6 55.970 55.970 58.199 -2.229 25597
52 1 2 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.415 1.180 25597
53 1 2 . 1 1 6 6 ARG H H 6 8.312 8.312 7.629 0.683 25597
54 1 2 . 1 1 7 7 ARG N N 7 121.712 121.712 117.118 4.594 25597
55 1 2 . 1 1 7 7 ARG HA H 7 4.312 4.312 3.873 0.439 25597
56 1 2 . 1 1 7 7 ARG C C 7 176.067 176.067 176.304 -0.237 25597
57 1 2 . 1 1 7 7 ARG CA C 7 55.970 55.970 57.490 -1.520 25597
58 1 2 . 1 1 7 7 ARG CB C 7 30.783 30.783 29.225 1.558 25597
59 1 2 . 1 1 7 7 ARG H H 7 8.396 8.396 7.655 0.741 25597
60 1 2 . 1 1 8 8 ILE N N 8 122.082 122.082 113.459 8.623 25597
61 1 2 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.453 -0.310 25597
62 1 2 . 1 1 8 8 ILE H H 8 8.374 8.374 7.349 1.025 25597
63 1 2 . 1 1 9 9 ARG N N 9 126.054 126.054 120.309 5.745 25597
64 1 2 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.156 0.450 25597
65 1 2 . 1 1 9 9 ARG C C 9 174.005 174.005 174.757 -0.752 25597
66 1 2 . 1 1 9 9 ARG CA C 9 53.858 53.858 56.028 -2.170 25597
67 1 2 . 1 1 9 9 ARG CB C 9 30.116 30.116 27.465 2.651 25597
68 1 2 . 1 1 9 9 ARG H H 9 8.569 8.569 8.782 -0.213 25597
69 1 2 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.459 -0.061 25597
70 1 2 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.485 -0.201 25597
71 1 2 . 1 1 11 11 LYS H H 11 8.520 8.520 8.237 0.283 25597
72 1 2 . 1 1 12 12 LEU N N 12 123.681 123.681 120.230 3.451 25597
73 1 2 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.646 -0.305 25597
74 1 2 . 1 1 12 12 LEU H H 12 8.481 8.481 7.981 0.499 25597
75 1 3 . 1 1 2 2 GLY N N 2 111.189 111.189 112.305 -1.116 25597
76 1 3 . 1 1 2 2 GLY H H 2 8.690 8.690 8.328 0.362 25597
77 1 3 . 1 1 3 3 GLY N N 3 107.332 107.332 108.597 -1.265 25597
78 1 3 . 1 1 3 3 GLY H H 3 8.038 8.038 8.216 -0.177 25597
79 1 3 . 1 1 4 4 PHE N N 4 118.585 118.585 119.671 -1.086 25597
80 1 3 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.789 -0.198 25597
81 1 3 . 1 1 4 4 PHE H H 4 8.202 8.202 7.850 0.352 25597
82 1 3 . 1 1 5 5 LEU N N 5 123.075 123.075 122.173 0.902 25597
83 1 3 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.942 0.350 25597
84 1 3 . 1 1 5 5 LEU H H 5 8.279 8.279 8.051 0.228 25597
85 1 3 . 1 1 6 6 ARG N N 6 121.173 121.173 121.014 0.159 25597
86 1 3 . 1 1 6 6 ARG HA H 6 4.260 4.260 3.889 0.371 25597
87 1 3 . 1 1 6 6 ARG C C 6 176.067 176.067 178.282 -2.215 25597
88 1 3 . 1 1 6 6 ARG CA C 6 55.970 55.970 58.223 -2.253 25597
89 1 3 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.568 1.027 25597
90 1 3 . 1 1 6 6 ARG H H 6 8.312 8.312 7.874 0.438 25597
91 1 3 . 1 1 7 7 ARG N N 7 121.712 121.712 120.980 0.732 25597
92 1 3 . 1 1 7 7 ARG HA H 7 4.312 4.312 3.993 0.319 25597
93 1 3 . 1 1 7 7 ARG C C 7 176.067 176.067 175.514 0.553 25597
94 1 3 . 1 1 7 7 ARG CA C 7 55.970 55.970 55.431 0.539 25597
95 1 3 . 1 1 7 7 ARG CB C 7 30.783 30.783 28.143 2.639 25597
96 1 3 . 1 1 7 7 ARG H H 7 8.396 8.396 7.421 0.975 25597
97 1 3 . 1 1 8 8 ILE N N 8 122.082 122.082 114.048 8.034 25597
98 1 3 . 1 1 8 8 ILE HA H 8 4.143 4.143 3.727 0.416 25597
99 1 3 . 1 1 8 8 ILE H H 8 8.374 8.374 8.161 0.213 25597
100 1 3 . 1 1 9 9 ARG N N 9 126.054 126.054 119.750 6.304 25597
101 1 3 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.731 -0.125 25597
102 1 3 . 1 1 9 9 ARG C C 9 174.005 174.005 174.922 -0.917 25597
103 1 3 . 1 1 9 9 ARG CA C 9 53.858 53.858 52.402 1.456 25597
104 1 3 . 1 1 9 9 ARG CB C 9 30.116 30.116 29.416 0.700 25597
105 1 3 . 1 1 9 9 ARG H H 9 8.569 8.569 7.717 0.852 25597
106 1 3 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.654 -0.256 25597
107 1 3 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.296 -0.012 25597
108 1 3 . 1 1 11 11 LYS H H 11 8.520 8.520 8.196 0.324 25597
109 1 3 . 1 1 12 12 LEU N N 12 123.681 123.681 120.156 3.525 25597
110 1 3 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.606 -0.265 25597
111 1 3 . 1 1 12 12 LEU H H 12 8.481 8.481 7.935 0.546 25597
112 1 4 . 1 1 2 2 GLY N N 2 111.189 111.189 108.214 2.975 25597
113 1 4 . 1 1 2 2 GLY H H 2 8.690 8.690 9.364 -0.674 25597
114 1 4 . 1 1 3 3 GLY N N 3 107.332 107.332 109.386 -2.054 25597
115 1 4 . 1 1 3 3 GLY H H 3 8.038 8.038 7.980 0.058 25597
116 1 4 . 1 1 4 4 PHE N N 4 118.585 118.585 122.531 -3.946 25597
117 1 4 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.350 0.241 25597
118 1 4 . 1 1 4 4 PHE H H 4 8.202 8.202 8.570 -0.368 25597
119 1 4 . 1 1 5 5 LEU N N 5 123.075 123.075 119.312 3.763 25597
120 1 4 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.736 0.556 25597
121 1 4 . 1 1 5 5 LEU H H 5 8.279 8.279 7.914 0.365 25597
122 1 4 . 1 1 6 6 ARG N N 6 121.173 121.173 119.776 1.397 25597
123 1 4 . 1 1 6 6 ARG HA H 6 4.260 4.260 3.868 0.392 25597
124 1 4 . 1 1 6 6 ARG C C 6 176.067 176.067 178.383 -2.316 25597
125 1 4 . 1 1 6 6 ARG CA C 6 55.970 55.970 58.424 -2.454 25597
126 1 4 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.375 1.220 25597
127 1 4 . 1 1 6 6 ARG H H 6 8.312 8.312 8.148 0.164 25597
128 1 4 . 1 1 7 7 ARG N N 7 121.712 121.712 120.699 1.013 25597
129 1 4 . 1 1 7 7 ARG HA H 7 4.312 4.312 3.976 0.336 25597
130 1 4 . 1 1 7 7 ARG C C 7 176.067 176.067 175.747 0.320 25597
131 1 4 . 1 1 7 7 ARG CA C 7 55.970 55.970 57.864 -1.893 25597
132 1 4 . 1 1 7 7 ARG CB C 7 30.783 30.783 30.262 0.522 25597
133 1 4 . 1 1 7 7 ARG H H 7 8.396 8.396 7.645 0.751 25597
134 1 4 . 1 1 8 8 ILE N N 8 122.082 122.082 113.621 8.461 25597
135 1 4 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.254 -0.111 25597
136 1 4 . 1 1 8 8 ILE H H 8 8.374 8.374 7.602 0.772 25597
137 1 4 . 1 1 9 9 ARG N N 9 126.054 126.054 124.014 2.040 25597
138 1 4 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.121 0.485 25597
139 1 4 . 1 1 9 9 ARG C C 9 174.005 174.005 175.321 -1.316 25597
140 1 4 . 1 1 9 9 ARG CA C 9 53.858 53.858 56.068 -2.210 25597
141 1 4 . 1 1 9 9 ARG CB C 9 30.116 30.116 28.621 1.495 25597
142 1 4 . 1 1 9 9 ARG H H 9 8.569 8.569 8.876 -0.307 25597
143 1 4 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.272 0.126 25597
144 1 4 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.424 -0.140 25597
145 1 4 . 1 1 11 11 LYS H H 11 8.520 8.520 7.662 0.858 25597
146 1 4 . 1 1 12 12 LEU N N 12 123.681 123.681 116.916 6.765 25597
147 1 4 . 1 1 12 12 LEU HA H 12 4.341 4.341 3.878 0.463 25597
148 1 4 . 1 1 12 12 LEU H H 12 8.481 8.481 8.415 0.066 25597
149 1 5 . 1 1 2 2 GLY N N 2 111.189 111.189 109.182 2.007 25597
150 1 5 . 1 1 2 2 GLY H H 2 8.690 8.690 9.090 -0.400 25597
151 1 5 . 1 1 3 3 GLY N N 3 107.332 107.332 108.730 -1.398 25597
152 1 5 . 1 1 3 3 GLY H H 3 8.038 8.038 7.989 0.049 25597
153 1 5 . 1 1 4 4 PHE N N 4 118.585 118.585 121.914 -3.329 25597
154 1 5 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.886 -0.295 25597
155 1 5 . 1 1 4 4 PHE H H 4 8.202 8.202 8.000 0.202 25597
156 1 5 . 1 1 5 5 LEU N N 5 123.075 123.075 120.650 2.425 25597
157 1 5 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.971 0.321 25597
158 1 5 . 1 1 5 5 LEU H H 5 8.279 8.279 7.676 0.603 25597
159 1 5 . 1 1 6 6 ARG N N 6 121.173 121.173 117.261 3.912 25597
160 1 5 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.040 0.220 25597
161 1 5 . 1 1 6 6 ARG C C 6 176.067 176.067 177.419 -1.352 25597
162 1 5 . 1 1 6 6 ARG CA C 6 55.970 55.970 56.770 -0.800 25597
163 1 5 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.285 1.310 25597
164 1 5 . 1 1 6 6 ARG H H 6 8.312 8.312 7.957 0.355 25597
165 1 5 . 1 1 7 7 ARG N N 7 121.712 121.712 119.245 2.467 25597
166 1 5 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.135 0.177 25597
167 1 5 . 1 1 7 7 ARG C C 7 176.067 176.067 175.935 0.132 25597
168 1 5 . 1 1 7 7 ARG CA C 7 55.970 55.970 55.274 0.696 25597
169 1 5 . 1 1 7 7 ARG CB C 7 30.783 30.783 27.776 3.007 25597
170 1 5 . 1 1 7 7 ARG H H 7 8.396 8.396 7.373 1.023 25597
171 1 5 . 1 1 8 8 ILE N N 8 122.082 122.082 116.325 5.757 25597
172 1 5 . 1 1 8 8 ILE HA H 8 4.143 4.143 3.723 0.420 25597
173 1 5 . 1 1 8 8 ILE H H 8 8.374 8.374 7.735 0.639 25597
174 1 5 . 1 1 9 9 ARG N N 9 126.054 126.054 120.101 5.953 25597
175 1 5 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.173 0.433 25597
176 1 5 . 1 1 9 9 ARG C C 9 174.005 174.005 174.946 -0.941 25597
177 1 5 . 1 1 9 9 ARG CA C 9 53.858 53.858 55.931 -2.072 25597
178 1 5 . 1 1 9 9 ARG CB C 9 30.116 30.116 27.704 2.412 25597
179 1 5 . 1 1 9 9 ARG H H 9 8.569 8.569 8.787 -0.218 25597
180 1 5 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.444 -0.046 25597
181 1 5 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.459 -0.175 25597
182 1 5 . 1 1 11 11 LYS H H 11 8.520 8.520 7.862 0.658 25597
183 1 5 . 1 1 12 12 LEU N N 12 123.681 123.681 120.898 2.783 25597
184 1 5 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.299 0.042 25597
185 1 5 . 1 1 12 12 LEU H H 12 8.481 8.481 8.029 0.452 25597
186 1 6 . 1 1 2 2 GLY N N 2 111.189 111.189 108.484 2.705 25597
187 1 6 . 1 1 2 2 GLY H H 2 8.690 8.690 9.622 -0.932 25597
188 1 6 . 1 1 3 3 GLY N N 3 107.332 107.332 108.323 -0.991 25597
189 1 6 . 1 1 3 3 GLY H H 3 8.038 8.038 8.093 -0.055 25597
190 1 6 . 1 1 4 4 PHE N N 4 118.585 118.585 122.973 -4.388 25597
191 1 6 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.621 -0.030 25597
192 1 6 . 1 1 4 4 PHE H H 4 8.202 8.202 8.206 -0.004 25597
193 1 6 . 1 1 5 5 LEU N N 5 123.075 123.075 119.974 3.101 25597
194 1 6 . 1 1 5 5 LEU HA H 5 4.292 4.292 4.004 0.288 25597
195 1 6 . 1 1 5 5 LEU H H 5 8.279 8.279 7.830 0.449 25597
196 1 6 . 1 1 6 6 ARG N N 6 121.173 121.173 119.113 2.060 25597
197 1 6 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.083 0.177 25597
198 1 6 . 1 1 6 6 ARG C C 6 176.067 176.067 177.425 -1.358 25597
199 1 6 . 1 1 6 6 ARG CA C 6 55.970 55.970 56.139 -0.169 25597
200 1 6 . 1 1 6 6 ARG CB C 6 30.595 30.595 29.155 1.440 25597
201 1 6 . 1 1 6 6 ARG H H 6 8.312 8.312 7.366 0.946 25597
202 1 6 . 1 1 7 7 ARG N N 7 121.712 121.712 120.179 1.533 25597
203 1 6 . 1 1 7 7 ARG HA H 7 4.312 4.312 3.863 0.449 25597
204 1 6 . 1 1 7 7 ARG C C 7 176.067 176.067 175.920 0.147 25597
205 1 6 . 1 1 7 7 ARG CA C 7 55.970 55.970 58.026 -2.056 25597
206 1 6 . 1 1 7 7 ARG CB C 7 30.783 30.783 30.403 0.380 25597
207 1 6 . 1 1 7 7 ARG H H 7 8.396 8.396 7.600 0.796 25597
208 1 6 . 1 1 8 8 ILE N N 8 122.082 122.082 112.759 9.323 25597
209 1 6 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.101 0.042 25597
210 1 6 . 1 1 8 8 ILE H H 8 8.374 8.374 7.430 0.944 25597
211 1 6 . 1 1 9 9 ARG N N 9 126.054 126.054 119.591 6.463 25597
212 1 6 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.204 0.402 25597
213 1 6 . 1 1 9 9 ARG C C 9 174.005 174.005 173.805 0.200 25597
214 1 6 . 1 1 9 9 ARG CA C 9 53.858 53.858 55.635 -1.777 25597
215 1 6 . 1 1 9 9 ARG CB C 9 30.116 30.116 28.058 2.058 25597
216 1 6 . 1 1 9 9 ARG H H 9 8.569 8.569 8.929 -0.360 25597
217 1 6 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.507 -0.109 25597
218 1 6 . 1 1 11 11 LYS HA H 11 4.284 4.284 3.984 0.300 25597
219 1 6 . 1 1 11 11 LYS H H 11 8.520 8.520 8.686 -0.166 25597
220 1 6 . 1 1 12 12 LEU N N 12 123.681 123.681 118.653 5.028 25597
221 1 6 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.356 -0.015 25597
222 1 6 . 1 1 12 12 LEU H H 12 8.481 8.481 7.413 1.068 25597
223 1 7 . 1 1 2 2 GLY N N 2 111.189 111.189 110.370 0.819 25597
224 1 7 . 1 1 2 2 GLY H H 2 8.690 8.690 8.571 0.119 25597
225 1 7 . 1 1 3 3 GLY N N 3 107.332 107.332 108.690 -1.358 25597
226 1 7 . 1 1 3 3 GLY H H 3 8.038 8.038 8.137 -0.099 25597
227 1 7 . 1 1 4 4 PHE N N 4 118.585 118.585 121.907 -3.322 25597
228 1 7 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.584 0.007 25597
229 1 7 . 1 1 4 4 PHE H H 4 8.202 8.202 8.043 0.159 25597
230 1 7 . 1 1 5 5 LEU N N 5 123.075 123.075 119.827 3.248 25597
231 1 7 . 1 1 5 5 LEU HA H 5 4.292 4.292 4.154 0.138 25597
232 1 7 . 1 1 5 5 LEU H H 5 8.279 8.279 7.734 0.545 25597
233 1 7 . 1 1 6 6 ARG N N 6 121.173 121.173 120.336 0.837 25597
234 1 7 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.141 0.119 25597
235 1 7 . 1 1 6 6 ARG C C 6 176.067 176.067 175.994 0.073 25597
236 1 7 . 1 1 6 6 ARG CA C 6 55.970 55.970 56.628 -0.658 25597
237 1 7 . 1 1 6 6 ARG CB C 6 30.595 30.595 27.641 2.954 25597
238 1 7 . 1 1 6 6 ARG H H 6 8.312 8.312 7.936 0.376 25597
239 1 7 . 1 1 7 7 ARG N N 7 121.712 121.712 119.417 2.295 25597
240 1 7 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.260 0.052 25597
241 1 7 . 1 1 7 7 ARG C C 7 176.067 176.067 175.867 0.200 25597
242 1 7 . 1 1 7 7 ARG CA C 7 55.970 55.970 56.507 -0.537 25597
243 1 7 . 1 1 7 7 ARG CB C 7 30.783 30.783 30.243 0.540 25597
244 1 7 . 1 1 7 7 ARG H H 7 8.396 8.396 8.135 0.261 25597
245 1 7 . 1 1 8 8 ILE N N 8 122.082 122.082 114.698 7.384 25597
246 1 7 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.314 -0.171 25597
247 1 7 . 1 1 8 8 ILE H H 8 8.374 8.374 7.408 0.966 25597
248 1 7 . 1 1 9 9 ARG N N 9 126.054 126.054 119.443 6.611 25597
249 1 7 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.088 0.518 25597
250 1 7 . 1 1 9 9 ARG C C 9 174.005 174.005 174.267 -0.262 25597
251 1 7 . 1 1 9 9 ARG CA C 9 53.858 53.858 56.066 -2.208 25597
252 1 7 . 1 1 9 9 ARG CB C 9 30.116 30.116 27.675 2.441 25597
253 1 7 . 1 1 9 9 ARG H H 9 8.569 8.569 8.701 -0.132 25597
254 1 7 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.314 0.084 25597
255 1 7 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.033 0.251 25597
256 1 7 . 1 1 11 11 LYS H H 11 8.520 8.520 8.614 -0.094 25597
257 1 7 . 1 1 12 12 LEU N N 12 123.681 123.681 117.209 6.472 25597
258 1 7 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.330 0.011 25597
259 1 7 . 1 1 12 12 LEU H H 12 8.481 8.481 7.833 0.648 25597
260 1 8 . 1 1 2 2 GLY N N 2 111.189 111.189 110.310 0.879 25597
261 1 8 . 1 1 2 2 GLY H H 2 8.690 8.690 8.961 -0.271 25597
262 1 8 . 1 1 3 3 GLY N N 3 107.332 107.332 110.411 -3.079 25597
263 1 8 . 1 1 3 3 GLY H H 3 8.038 8.038 8.301 -0.263 25597
264 1 8 . 1 1 4 4 PHE N N 4 118.585 118.585 123.442 -4.857 25597
265 1 8 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.516 0.075 25597
266 1 8 . 1 1 4 4 PHE H H 4 8.202 8.202 7.949 0.253 25597
267 1 8 . 1 1 5 5 LEU N N 5 123.075 123.075 118.391 4.684 25597
268 1 8 . 1 1 5 5 LEU HA H 5 4.292 4.292 4.167 0.125 25597
269 1 8 . 1 1 5 5 LEU H H 5 8.279 8.279 7.503 0.776 25597
270 1 8 . 1 1 6 6 ARG N N 6 121.173 121.173 120.018 1.155 25597
271 1 8 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.227 0.033 25597
272 1 8 . 1 1 6 6 ARG C C 6 176.067 176.067 176.278 -0.211 25597
273 1 8 . 1 1 6 6 ARG CA C 6 55.970 55.970 54.950 1.020 25597
274 1 8 . 1 1 6 6 ARG CB C 6 30.595 30.595 27.409 3.186 25597
275 1 8 . 1 1 6 6 ARG H H 6 8.312 8.312 7.910 0.402 25597
276 1 8 . 1 1 7 7 ARG N N 7 121.712 121.712 120.120 1.592 25597
277 1 8 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.087 0.225 25597
278 1 8 . 1 1 7 7 ARG C C 7 176.067 176.067 176.096 -0.029 25597
279 1 8 . 1 1 7 7 ARG CA C 7 55.970 55.970 55.324 0.646 25597
280 1 8 . 1 1 7 7 ARG CB C 7 30.783 30.783 27.749 3.034 25597
281 1 8 . 1 1 7 7 ARG H H 7 8.396 8.396 7.481 0.915 25597
282 1 8 . 1 1 8 8 ILE N N 8 122.082 122.082 116.369 5.713 25597
283 1 8 . 1 1 8 8 ILE HA H 8 4.143 4.143 3.801 0.342 25597
284 1 8 . 1 1 8 8 ILE H H 8 8.374 8.374 7.744 0.630 25597
285 1 8 . 1 1 9 9 ARG N N 9 126.054 126.054 120.838 5.216 25597
286 1 8 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.255 0.351 25597
287 1 8 . 1 1 9 9 ARG C C 9 174.005 174.005 175.340 -1.335 25597
288 1 8 . 1 1 9 9 ARG CA C 9 53.858 53.858 55.877 -2.019 25597
289 1 8 . 1 1 9 9 ARG CB C 9 30.116 30.116 27.376 2.740 25597
290 1 8 . 1 1 9 9 ARG H H 9 8.569 8.569 8.534 0.035 25597
291 1 8 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.375 0.023 25597
292 1 8 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.453 -0.169 25597
293 1 8 . 1 1 11 11 LYS H H 11 8.520 8.520 7.681 0.839 25597
294 1 8 . 1 1 12 12 LEU N N 12 123.681 123.681 119.811 3.870 25597
295 1 8 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.124 0.217 25597
296 1 8 . 1 1 12 12 LEU H H 12 8.481 8.481 7.748 0.733 25597
297 1 9 . 1 1 2 2 GLY N N 2 111.189 111.189 109.437 1.752 25597
298 1 9 . 1 1 2 2 GLY H H 2 8.690 8.690 8.436 0.254 25597
299 1 9 . 1 1 3 3 GLY N N 3 107.332 107.332 106.580 0.752 25597
300 1 9 . 1 1 3 3 GLY H H 3 8.038 8.038 8.371 -0.333 25597
301 1 9 . 1 1 4 4 PHE N N 4 118.585 118.585 120.620 -2.035 25597
302 1 9 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.944 -0.353 25597
303 1 9 . 1 1 4 4 PHE H H 4 8.202 8.202 7.792 0.410 25597
304 1 9 . 1 1 5 5 LEU N N 5 123.075 123.075 122.420 0.655 25597
305 1 9 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.889 0.403 25597
306 1 9 . 1 1 5 5 LEU H H 5 8.279 8.279 8.017 0.262 25597
307 1 9 . 1 1 6 6 ARG N N 6 121.173 121.173 118.657 2.516 25597
308 1 9 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.047 0.213 25597
309 1 9 . 1 1 6 6 ARG C C 6 176.067 176.067 177.909 -1.842 25597
310 1 9 . 1 1 6 6 ARG CA C 6 55.970 55.970 57.549 -1.579 25597
311 1 9 . 1 1 6 6 ARG CB C 6 30.595 30.595 28.633 1.962 25597
312 1 9 . 1 1 6 6 ARG H H 6 8.312 8.312 8.205 0.107 25597
313 1 9 . 1 1 7 7 ARG N N 7 121.712 121.712 118.887 2.825 25597
314 1 9 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.008 0.304 25597
315 1 9 . 1 1 7 7 ARG C C 7 176.067 176.067 176.853 -0.786 25597
316 1 9 . 1 1 7 7 ARG CA C 7 55.970 55.970 57.090 -1.120 25597
317 1 9 . 1 1 7 7 ARG CB C 7 30.783 30.783 29.832 0.951 25597
318 1 9 . 1 1 7 7 ARG H H 7 8.396 8.396 7.278 1.118 25597
319 1 9 . 1 1 8 8 ILE N N 8 122.082 122.082 117.260 4.822 25597
320 1 9 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.382 -0.239 25597
321 1 9 . 1 1 8 8 ILE H H 8 8.374 8.374 7.673 0.701 25597
322 1 9 . 1 1 9 9 ARG N N 9 126.054 126.054 122.765 3.289 25597
323 1 9 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.155 0.451 25597
324 1 9 . 1 1 9 9 ARG C C 9 174.005 174.005 174.288 -0.283 25597
325 1 9 . 1 1 9 9 ARG CA C 9 53.858 53.858 55.475 -1.617 25597
326 1 9 . 1 1 9 9 ARG CB C 9 30.116 30.116 27.640 2.476 25597
327 1 9 . 1 1 9 9 ARG H H 9 8.569 8.569 9.030 -0.461 25597
328 1 9 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.523 -0.125 25597
329 1 9 . 1 1 11 11 LYS HA H 11 4.284 4.284 3.880 0.404 25597
330 1 9 . 1 1 11 11 LYS H H 11 8.520 8.520 8.076 0.444 25597
331 1 9 . 1 1 12 12 LEU N N 12 123.681 123.681 116.369 7.312 25597
332 1 9 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.515 -0.174 25597
333 1 9 . 1 1 12 12 LEU H H 12 8.481 8.481 7.581 0.900 25597
334 1 10 . 1 1 2 2 GLY N N 2 111.189 111.189 110.605 0.584 25597
335 1 10 . 1 1 2 2 GLY H H 2 8.690 8.690 8.507 0.183 25597
336 1 10 . 1 1 3 3 GLY N N 3 107.332 107.332 109.136 -1.804 25597
337 1 10 . 1 1 3 3 GLY H H 3 8.038 8.038 8.016 0.022 25597
338 1 10 . 1 1 4 4 PHE N N 4 118.585 118.585 121.323 -2.738 25597
339 1 10 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.337 0.254 25597
340 1 10 . 1 1 4 4 PHE H H 4 8.202 8.202 8.201 0.001 25597
341 1 10 . 1 1 5 5 LEU N N 5 123.075 123.075 117.354 5.721 25597
342 1 10 . 1 1 5 5 LEU HA H 5 4.292 4.292 4.001 0.291 25597
343 1 10 . 1 1 5 5 LEU H H 5 8.279 8.279 7.772 0.507 25597
344 1 10 . 1 1 6 6 ARG N N 6 121.173 121.173 119.814 1.359 25597
345 1 10 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.142 0.118 25597
346 1 10 . 1 1 6 6 ARG C C 6 176.067 176.067 176.262 -0.195 25597
347 1 10 . 1 1 6 6 ARG CA C 6 55.970 55.970 56.333 -0.363 25597
348 1 10 . 1 1 6 6 ARG CB C 6 30.595 30.595 28.492 2.103 25597
349 1 10 . 1 1 6 6 ARG H H 6 8.312 8.312 7.235 1.077 25597
350 1 10 . 1 1 7 7 ARG N N 7 121.712 121.712 120.373 1.339 25597
351 1 10 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.129 0.183 25597
352 1 10 . 1 1 7 7 ARG C C 7 176.067 176.067 175.854 0.213 25597
353 1 10 . 1 1 7 7 ARG CA C 7 55.970 55.970 56.018 -0.048 25597
354 1 10 . 1 1 7 7 ARG CB C 7 30.783 30.783 30.632 0.151 25597
355 1 10 . 1 1 7 7 ARG H H 7 8.396 8.396 7.874 0.522 25597
356 1 10 . 1 1 8 8 ILE N N 8 122.082 122.082 114.731 7.351 25597
357 1 10 . 1 1 8 8 ILE HA H 8 4.143 4.143 3.901 0.242 25597
358 1 10 . 1 1 8 8 ILE H H 8 8.374 8.374 8.014 0.360 25597
359 1 10 . 1 1 9 9 ARG N N 9 126.054 126.054 121.426 4.628 25597
360 1 10 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.793 -0.187 25597
361 1 10 . 1 1 9 9 ARG C C 9 174.005 174.005 175.237 -1.232 25597
362 1 10 . 1 1 9 9 ARG CA C 9 53.858 53.858 53.119 0.739 25597
363 1 10 . 1 1 9 9 ARG CB C 9 30.116 30.116 30.470 -0.354 25597
364 1 10 . 1 1 9 9 ARG H H 9 8.569 8.569 8.114 0.455 25597
365 1 10 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.638 -0.240 25597
366 1 10 . 1 1 11 11 LYS HA H 11 4.284 4.284 3.970 0.314 25597
367 1 10 . 1 1 11 11 LYS H H 11 8.520 8.520 8.053 0.467 25597
368 1 10 . 1 1 12 12 LEU N N 12 123.681 123.681 116.576 7.105 25597
369 1 10 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.431 -0.090 25597
370 1 10 . 1 1 12 12 LEU H H 12 8.481 8.481 7.821 0.660 25597
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 9 3.560 -2.530 2.656 25597
2 1 1 "Average Difference" HA 13 0.262 0.010 0.272 25597
3 1 1 "Average Difference" C 3 0.961 0.848 0.554 25597
4 1 1 "Average Difference" CA 3 2.306 2.303 0.162 25597
5 1 1 "Average Difference" CB 3 1.454 -1.350 0.662 25597
6 1 1 "Average Difference" HN 10 0.603 -0.433 0.443 25597
7 1 2 "Average Difference" N 9 4.135 -3.129 2.867 25597
8 1 2 "Average Difference" HA 13 0.308 -0.111 0.299 25597
9 1 2 "Average Difference" C 3 0.831 0.731 0.484 25597
10 1 2 "Average Difference" CA 3 1.999 1.973 0.393 25597
11 1 2 "Average Difference" CB 3 1.901 -1.796 0.764 25597
12 1 2 "Average Difference" HN 10 0.542 -0.373 0.415 25597
13 1 3 "Average Difference" N 9 3.683 -1.799 3.409 25597
14 1 3 "Average Difference" HA 13 0.252 -0.093 0.244 25597
15 1 3 "Average Difference" C 3 1.420 0.860 1.385 25597
16 1 3 "Average Difference" CA 3 1.580 0.086 1.932 25597
17 1 3 "Average Difference" CB 3 1.684 -1.456 1.038 25597
18 1 3 "Average Difference" HN 10 0.515 -0.411 0.327 25597
19 1 4 "Average Difference" N 9 4.311 -2.268 3.889 25597
20 1 4 "Average Difference" HA 13 0.301 -0.215 0.220 25597
21 1 4 "Average Difference" C 3 1.549 1.104 1.331 25597
22 1 4 "Average Difference" CA 3 2.198 2.186 0.281 25597
23 1 4 "Average Difference" CB 3 1.154 -1.079 0.502 25597
24 1 4 "Average Difference" HN 10 0.524 -0.169 0.523 25597
25 1 5 "Average Difference" N 9 3.662 -2.286 3.033 25597
26 1 5 "Average Difference" HA 13 0.304 -0.037 0.314 25597
27 1 5 "Average Difference" C 3 0.954 0.720 0.766 25597
28 1 5 "Average Difference" CA 3 1.344 0.726 1.386 25597
29 1 5 "Average Difference" CB 3 2.350 -2.243 0.861 25597
30 1 5 "Average Difference" HN 10 0.532 -0.336 0.435 25597
31 1 6 "Average Difference" N 9 4.687 -2.759 4.019 25597
32 1 6 "Average Difference" HA 13 0.212 -0.119 0.182 25597
33 1 6 "Average Difference" C 3 0.797 0.337 0.885 25597
34 1 6 "Average Difference" CA 3 1.572 1.334 1.018 25597
35 1 6 "Average Difference" CB 3 1.467 -1.293 0.848 25597
36 1 6 "Average Difference" HN 10 0.692 -0.269 0.672 25597
37 1 7 "Average Difference" N 9 4.348 -2.554 3.733 25597
38 1 7 "Average Difference" HA 13 0.194 -0.114 0.163 25597
39 1 7 "Average Difference" C 3 0.195 -0.004 0.239 25597
40 1 7 "Average Difference" CA 3 1.366 1.134 0.932 25597
41 1 7 "Average Difference" CB 3 2.234 -1.978 1.271 25597
42 1 7 "Average Difference" HN 10 0.440 -0.275 0.362 25597
43 1 8 "Average Difference" N 9 3.865 -1.686 3.689 25597
44 1 8 "Average Difference" HA 13 0.182 -0.112 0.150 25597
45 1 8 "Average Difference" C 3 0.781 0.525 0.707 25597
46 1 8 "Average Difference" CA 3 1.358 0.118 1.657 25597
47 1 8 "Average Difference" CB 3 2.992 -2.986 0.227 25597
48 1 8 "Average Difference" HN 10 0.587 -0.405 0.448 25597
49 1 9 "Average Difference" N 9 3.497 -2.432 2.665 25597
50 1 9 "Average Difference" HA 13 0.265 -0.086 0.261 25597
51 1 9 "Average Difference" C 3 1.168 0.970 0.796 25597
52 1 9 "Average Difference" CA 3 1.456 1.439 0.276 25597
53 1 9 "Average Difference" CB 3 1.905 -1.796 0.776 25597
54 1 9 "Average Difference" HN 10 0.582 -0.340 0.497 25597
55 1 10 "Average Difference" N 9 4.389 -2.616 3.738 25597
56 1 10 "Average Difference" HA 13 0.196 -0.099 0.176 25597
57 1 10 "Average Difference" C 3 0.731 0.405 0.745 25597
58 1 10 "Average Difference" CA 3 0.476 -0.109 0.567 25597
59 1 10 "Average Difference" CB 3 1.234 -0.633 1.298 25597
60 1 10 "Average Difference" HN 10 0.521 -0.425 0.317 25597
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 25597
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 2 2 GLY N N 2 111.189 111.189 109.697 1.492 25597
2 1 . 1 1 2 2 GLY H H 2 8.690 8.690 8.723 -0.033 25597
3 1 . 1 1 3 3 GLY N N 3 107.332 107.332 108.362 -1.030 25597
4 1 . 1 1 3 3 GLY H H 3 8.038 8.038 8.133 -0.095 25597
5 1 . 1 1 4 4 PHE N N 4 118.585 118.585 121.369 -2.784 25597
6 1 . 1 1 4 4 PHE HA H 4 4.591 4.591 4.681 -0.090 25597
7 1 . 1 1 4 4 PHE H H 4 8.202 8.202 8.014 0.188 25597
8 1 . 1 1 5 5 LEU N N 5 123.075 123.075 120.442 2.633 25597
9 1 . 1 1 5 5 LEU HA H 5 4.292 4.292 3.963 0.329 25597
10 1 . 1 1 5 5 LEU H H 5 8.279 8.279 7.879 0.400 25597
11 1 . 1 1 6 6 ARG N N 6 121.173 121.173 119.398 1.775 25597
12 1 . 1 1 6 6 ARG HA H 6 4.260 4.260 4.027 0.233 25597
13 1 . 1 1 6 6 ARG C C 6 176.067 176.067 177.275 -1.208 25597
14 1 . 1 1 6 6 ARG CA C 6 55.970 55.970 57.156 -1.186 25597
15 1 . 1 1 6 6 ARG CB C 6 30.595 30.595 28.856 1.739 25597
16 1 . 1 1 6 6 ARG H H 6 8.312 8.312 7.873 0.439 25597
17 1 . 1 1 7 7 ARG N N 7 121.712 121.712 119.478 2.234 25597
18 1 . 1 1 7 7 ARG HA H 7 4.312 4.312 4.041 0.271 25597
19 1 . 1 1 7 7 ARG C C 7 176.067 176.067 176.053 0.014 25597
20 1 . 1 1 7 7 ARG CA C 7 55.970 55.970 56.711 -0.741 25597
21 1 . 1 1 7 7 ARG CB C 7 30.783 30.783 29.412 1.371 25597
22 1 . 1 1 7 7 ARG H H 7 8.396 8.396 7.583 0.812 25597
23 1 . 1 1 8 8 ILE N N 8 122.082 122.082 114.771 7.311 25597
24 1 . 1 1 8 8 ILE HA H 8 4.143 4.143 4.109 0.034 25597
25 1 . 1 1 8 8 ILE H H 8 8.374 8.374 7.664 0.710 25597
26 1 . 1 1 9 9 ARG N N 9 126.054 126.054 121.049 5.005 25597
27 1 . 1 1 9 9 ARG HA H 9 4.606 4.606 4.281 0.325 25597
28 1 . 1 1 9 9 ARG C C 9 174.005 174.005 174.761 -0.756 25597
29 1 . 1 1 9 9 ARG CA C 9 53.858 53.858 55.287 -1.429 25597
30 1 . 1 1 9 9 ARG CB C 9 30.116 30.116 28.243 1.873 25597
31 1 . 1 1 9 9 ARG H H 9 8.569 8.569 8.627 -0.058 25597
32 1 . 1 1 10 10 PRO HA H 10 4.398 4.398 4.474 -0.076 25597
33 1 . 1 1 11 11 LYS HA H 11 4.284 4.284 4.241 0.043 25597
34 1 . 1 1 11 11 LYS H H 11 8.520 8.520 8.086 0.434 25597
35 1 . 1 1 12 12 LEU N N 12 123.681 123.681 118.663 5.018 25597
36 1 . 1 1 12 12 LEU HA H 12 4.341 4.341 4.339 0.002 25597
37 1 . 1 1 12 12 LEU H H 12 8.481 8.481 7.843 0.638 25597
stop_
save_